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89384-00-9 | Oxazole, 2-(4-bromo-2-methoxyphenyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 89384-00-9 Catalog No: AG003WBT MDL No:
Product Description
Catalog Number:
AG003WBT
Chemical Name:
Oxazole, 2-(4-bromo-2-methoxyphenyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
89384-00-9
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
2-(4-bromo-2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C12H14BrNO2/c1-12(2)7-16-11(14-12)9-5-4-8(13)6-10(9)15-3/h4-6H,7H2,1-3H3
InChI Key:
UHDJUZFYJPJUCG-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1C1=NC(CO1)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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